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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50158887'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50158887
PNG
(CHEMBL3786042)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C37H60N12O10/c1-19(2)28(30(39)53)48-36(59)29(20(3)51)49-33(56)24(13-14-27(38)52)45-34(57)25(17-21-9-5-4-6-10-21)46-35(58)26(18-50)47-32(55)23(12-8-16-43-37(40)41)44-31(54)22-11-7-15-42-22/h4-6,9-10,19-20,22-26,28-29,42,50-51H,7-8,11-18H2,1-3H3,(H2,38,52)(H2,39,53)(H,44,54)(H,45,57)(H,46,58)(H,47,55)(H,48,59)(H,49,56)(H4,40,41,43)/t20-,22+,23+,24+,25+,26+,28+,29+/m1/s1
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MMDB

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Similars
Article
PubMed
 8.00E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged KDM1A (171 to 836 residues) using H3K4me2 as substrate by peroxidase coupled enzyme assay

J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair